[(2S,3R,4R,5S,6R)-5-[(E)-2-(3,5-Dihydroxyphenyl)Ethenyl]-4,5-Dihydroxy-6-(Hydroxymethyl)-2-(Phenoxy)Oxan-3-Yl] 3,4,5-Trihydroxybenzoate
[CAS# 105304-51-6]

Identification

• Name: [(2S,3R,4R,5S,6R)-5-[(E)-2-(3,5-Dihydroxyphenyl)Ethenyl]-4,5-Dihydroxy-6-(Hydroxymethyl)-2-(Phenoxy)Oxan-3-Yl] 3,4,5-Trihydroxybenzoate
• Synonyms: [(2S,3R,4R,5S,6R)-5-[(E)-2-(3,5-Dihydroxyphenyl)Vinyl]-4,5-Dihydroxy-6-(Hydroxymethyl)-2-(Phenoxy)Tetrahydropyran-3-Yl] 3,4,5-Trihydroxybenzoate; 3,4,5-Trihydroxybenzoic Acid [(2S,3R,4R,5S,6R)-5-[(E)-2-(3,5-Dihydroxyphenyl)Vinyl]-4,5-Dihydroxy-6-(Hydroxymethyl)-2-(Phenoxy)-3-Tetrahydropyranyl] Ester; 3,4,5-Trihydroxybenzoic Acid [(2S,3R,4R,5S,6R)-5-[(E)-2-(3,5-Dihydroxyphenyl)Vinyl]-4,5-Dihydroxy-6-Methylol-2-(Phenoxy)Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₂₇H₂₆O₁₂
• Molecular Weight: 542.50
• CAS Registry Number: 105304-51-6
• SMILES: [C@@]2(O)([C@H](O)[C@@H](OC(=O)C1=CC(=C(O)C(=C1)O)O)[C@@H](O[C@@H]2CO)OC3=CC=CC=C3)\C=C\C4=CC(=CC(=C4)O)O
• InChI: 1S/C27H26O12/c28-13-21-27(36,7-6-14-8-16(29)12-17(30)9-14)24(34)23(26(38-21)37-18-4-2-1-3-5-18)39-25(35)15-10-19(31)22(33)20(32)11-15/h1-12,21,23-24,26,28-34,36H,13H2/b7-6+/t21-,23-,24-,26-,27-/m1/s1
• InChIKey: YVAPPPYBCIJACC-UBFVITNGSA-N

Properties

• Density: 1.672g/cm³ (Cal.)
• Boiling point: 913.712°C at 760 mmHg (Cal.)
• Flash point: 307.101°C (Cal.)